============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 19 rings ring int. center anis. iso. TYR 15 0.840 37.553 18.551 -25.298 -99.200 -91.000 HIS 17 0.900 30.062 18.967 -24.756 -99.200 -91.000 HIS 20 0.900 26.498 27.402 -16.771 -99.200 -91.000 HIS 24 0.900 16.901 39.192 -23.130 -99.200 -91.000 PHE 32 1.000 17.748 55.673 -6.637 -99.200 -91.000 PHE 47 1.000 28.374 24.956 -5.723 -99.200 -91.000 PHE 53 1.000 24.992 34.903 -17.555 -99.200 -91.000 PHE 57 1.000 30.117 20.541 -14.703 -99.200 -91.000 TYR 91 0.840 25.070 27.287 -29.644 -99.200 -91.000 HIS 99 0.900 46.214 22.158 -20.746 -99.200 -91.000 HIS 106 0.900 28.047 23.599 -25.734 -99.200 -91.000 PHE 107 1.000 25.535 33.451 -22.384 -99.200 -91.000 TYR 108 0.840 21.735 26.695 -25.140 -99.200 -91.000 HIS 130 0.900 15.915 29.917 -2.090 -99.200 -91.000 TYR 143 0.840 20.991 51.036 -12.859 -99.200 -91.000 PHE 155 1.000 26.301 42.246 -11.701 -99.200 -91.000 PHE 160 1.000 30.449 38.759 -12.601 -99.200 -91.000 TYR 170 0.840 27.831 36.561 -27.394 -99.200 -91.000 HIS 191 0.900 39.755 46.657 -15.385 -99.200 -91.000